CID 27582

2,3,4-trichlorophenol

Structural Information

Molecular Formula
C6H3Cl3O
SMILES
C1=CC(=C(C(=C1O)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
HSQFVBWFPBKHEB-UHFFFAOYSA-N
Compound name
2,3,4-trichlorophenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

16
References

9783
Patents

195.92494 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.932216 129.9
[M+Na]+ 218.914158 141.8
[M-H]- 194.917664 131.4
[M+NH4]+ 213.958763 150.5
[M+K]+ 234.888098 136.0
[M+H-H2O]+ 178.922200 128.1
[M+HCOO]- 240.923141 139.0
[M+CH3COO]- 254.938791 179.7
[M+Na-2H]- 216.899606 134.9
[M]+ 195.92439142 132.3
[M]- 195.92548858 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe